2-cinnolin-4-yloxy-3-fluoroaniline

C14H10FN3O — CID 104832200

IUPAC2-cinnolin-4-yloxy-3-fluoroaniline
SMILESNc1cccc(F)c1Oc1cnnc2ccccc12
InChIInChI=1S/C14H10FN3O/c15-10-5-3-6-11(16)14(10)19-13-8-17-18-12-7-2-1-4-9(12)13/h1-8H,16H2
InChIKeyLIEDSBRCQJLMIU-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.14
Rot. Bonds2

About 2-cinnolin-4-yloxy-3-fluoroaniline

2-cinnolin-4-yloxy-3-fluoroaniline (PubChem CID 104832200) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-cinnolin-4-yloxy-3-fluoroaniline.

Molecular Properties

Compound Name2-cinnolin-4-yloxy-3-fluoroaniline
PubChem CID104832200
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name2-cinnolin-4-yloxy-3-fluoroaniline
SMILESNc1cccc(F)c1Oc1cnnc2ccccc12
InChIInChI=1S/C14H10FN3O/c15-10-5-3-6-11(16)14(10)19-13-8-17-18-12-7-2-1-4-9(12)13/h1-8H,16H2
InChIKeyLIEDSBRCQJLMIU-UHFFFAOYSA-N
XLogP3.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-Cinnolinyl methyl ether
CID 292501
Benzenamine, 4-(1-phthalazinyloxy)-
CID 6410689
1-(4-Cinnolin-4-yloxy-2-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 172457488
4-[(Z)-2-(2-methoxyphenyl)ethenyl]cinnoline
CID 54602268
(4-(Cinnolin-4-yloxy)phenyl)(imino)(methyl)-lambda6-sulfanone
CID 157040747
5-Fluoro-4-prop-2-ynoxycinnoline
CID 177851022
4-(Cinnolin-4-yloxymethyl)benzonitrile
CID 8098224
7-Chloro-4-phenoxycinnoline
CID 596987
4-Prop-2-enoxycinnoline
CID 135060412
4-Phenoxycinnoline
CID 21991035
6-Chloro-4-phenoxycinnoline
CID 21991067
6-Nitro-4-phenoxycinnoline
CID 22252590

Frequently Asked Questions

What is the IUPAC name of 2-cinnolin-4-yloxy-3-fluoroaniline?
The IUPAC name of 2-cinnolin-4-yloxy-3-fluoroaniline (CID 104832200) is 2-cinnolin-4-yloxy-3-fluoroaniline.
What is the SMILES notation for 2-cinnolin-4-yloxy-3-fluoroaniline?
The canonical SMILES for 2-cinnolin-4-yloxy-3-fluoroaniline is Nc1cccc(F)c1Oc1cnnc2ccccc12.
What is the InChIKey of 2-cinnolin-4-yloxy-3-fluoroaniline?
The InChIKey is LIEDSBRCQJLMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-10-5-3-6-11(16)14(10)19-13-8-17-18-12-7-2-1-4-9(12)13/h1-8H,16H2.
What are the key properties of 2-cinnolin-4-yloxy-3-fluoroaniline?
2-cinnolin-4-yloxy-3-fluoroaniline has a molecular weight of 255.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cinnolin-4-yloxy-3-fluoroaniline is sourced from PubChem (CID 104832200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).